Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.532 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F2 | Fluorine diatomic | 1.427 |
Highest value | F3- | trifluoride anion | 1.558 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
F2 | Fluorine diatomic | 1.427 | 1 | 2 |
F3- | trifluoride anion | 1.558 | 1 | 2 |
1.558 | 1 | 3 | ||
1.558 | 1 | 2 | ||
1.557 | 1 | 3 |